XXM

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O1	C1	sing	1.43Å	1.34Å
C4	O4	sing	1.44Å	1.53Å
C4	C3	sing	1.55Å	1.61Å
O3	C3	sing	1.43Å	1.44Å
O4	C1	sing	1.44Å	1.36Å
C1	C2	sing	1.54Å	1.66Å
C3	C2	sing	1.55Å	1.37Å
C3	C5	sing	1.53Å	1.51Å
O5	C5	sing	1.43Å	1.45Å
C2	O2	sing	1.43Å	1.44Å
O5	HO5	sing	0.97Å	0.95Å
C5	H51	sing	1.09Å	1.10Å
C5	H52	sing	1.09Å	1.10Å
O3	HO3	sing	0.97Å	0.95Å
C4	H41	sing	1.09Å	1.10Å
C4	H42	sing	1.09Å	1.10Å
C1	H1	sing	1.09Å	1.10Å
O1	HO1	sing	0.97Å	0.95Å
C2	H2	sing	1.09Å	1.10Å
O2	HO2	sing	0.97Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O1	C1	O4	116.5°	109.9°
O1	C1	C2	108.1°	109.9°
O1	C1	H1	111.4°	110.0°
C1	O1	HO1	109.5°	114.0°
O4	C4	C3	100.3°	103.5°
C4	O4	C1	109.5°	107.0°
O4	C4	H41	111.7°	110.6°
O4	C4	H42	111.7°	110.6°
C4	C3	O3	104.7°	110.9°
C4	C3	C2	108.7°	102.1°
C4	C3	C5	108.1°	110.9°
C3	C4	H41	111.7°	110.6°
C3	C4	H42	111.7°	110.6°
O3	C3	C2	115.0°	110.9°
O3	C3	C5	108.6°	110.9°
C3	O3	HO3	109.5°	114.0°
O4	C1	C2	101.5°	107.3°
O4	C1	H1	111.1°	109.9°
C1	C2	C3	106.0°	104.2°
C1	C2	O2	109.4°	110.5°
C2	C1	H1	107.1°	110.0°
C1	C2	H2	105.5°	110.5°
C2	C3	C5	111.5°	110.9°
C3	C2	O2	118.2°	110.5°
C3	C2	H2	108.9°	110.5°
C3	C5	O5	111.5°	109.5°
C3	C5	H51	109.0°	109.5°
C3	C5	H52	108.9°	109.5°
C5	O5	HO5	109.5°	114.0°
O5	C5	H51	109.0°	109.5°
O5	C5	H52	109.0°	109.5°
O2	C2	H2	108.0°	110.5°
C2	O2	HO2	109.5°	114.0°
H51	C5	H52	109.5°	109.5°
H41	C4	H42	109.5°	110.7°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O1	C1	O4	C4	79.0°	145.9°
O1	C1	O4	C2	117.2°	119.4°
O1	C1	O4	H1	129.1°	121.1°
O1	C1	C2	H1	120.2°	121.2°
O1	C1	C2	C3	93.7°	121.4°
O1	C1	C2	O2	34.8°	2.7°
O1	C1	C2	H2	150.8°	119.9°
O4	C4	C3	H41	118.5°	118.5°
O4	C4	C3	H42	118.5°	118.5°
O4	C4	C3	O3	135.1°	81.2°
C4	O4	C1	C2	38.2°	26.5°
O4	C4	C3	C2	11.8°	37.0°
O4	C4	C3	C5	109.3°	155.2°
O4	C4	H41	H42	124.3°	123.0°
C4	O4	C1	H1	151.8°	92.9°
C4	C3	O3	C2	119.1°	112.7°
C4	C3	O3	C5	115.2°	123.6°
C3	C4	O4	C1	33.3°	40.1°
C4	C3	C2	C1	8.9°	20.9°
C4	C3	C2	C5	119.0°	118.1°
C4	C3	C5	O5	56.8°	67.3°
C4	C3	C2	O2	132.1°	139.6°
C4	C3	C5	H51	177.1°	52.7°
C4	C3	C5	H52	63.5°	172.7°
C4	C3	O3	HO3	180.0°	67.3°
C3	C4	H41	H42	124.3°	123.0°
C4	C3	C2	H2	104.3°	97.8°
O3	C3	C2	C1	108.0°	97.3°
O3	C3	C2	C5	124.1°	123.6°
O3	C3	C5	O5	56.2°	56.3°
O3	C3	C2	O2	15.2°	21.4°
O3	C3	C5	H51	64.1°	176.4°
O3	C3	C5	H52	176.5°	63.6°
O3	C3	C4	H41	106.4°	37.3°
O3	C3	C4	H42	16.6°	160.3°
O3	C3	C2	H2	138.9°	144.0°
O4	C1	C2	H1	116.6°	119.4°
O4	C1	C2	C3	29.4°	2.0°
O4	C1	C2	O2	158.0°	116.7°
C1	O4	C4	H41	151.8°	158.6°
C1	O4	C4	H42	85.2°	78.4°
O4	C1	O1	HO1	180.0°	61.5°
O4	C1	C2	H2	86.1°	120.8°
C1	C2	C3	O2	123.2°	118.7°
C1	C2	C3	H2	113.2°	118.7°
C1	C2	C3	C5	127.9°	139.0°
C1	C2	O2	H2	114.4°	122.5°
C2	C1	O1	HO1	66.5°	179.3°
C1	C2	O2	HO2	180.0°	65.2°
C2	C3	C5	O5	176.2°	180.0°
C3	C2	O2	H2	124.2°	122.6°
C2	C3	C5	H51	63.5°	59.9°
C2	C3	C5	H52	55.9°	60.1°
C2	C3	O3	HO3	60.9°	180.0°
C2	C3	C4	H41	130.3°	155.5°
C2	C3	C4	H42	106.6°	81.4°
C3	C2	C1	H1	146.1°	117.4°
C3	C2	O2	HO2	58.6°	180.0°
C3	C5	O5	H51	120.3°	120.1°
C3	C5	O5	H52	120.3°	120.0°
C5	C3	C2	O2	108.9°	102.3°
C3	C5	O5	HO5	180.0°	179.9°
C3	C5	H51	H52	119.1°	120.0°
C5	C3	O3	HO3	64.8°	56.3°
C5	C3	C4	H41	9.2°	86.3°
C5	C3	C4	H42	132.2°	36.7°
C5	C3	C2	H2	14.8°	20.3°
O5	C5	H51	H52	119.1°	120.0°
O2	C2	C1	H1	85.4°	123.9°
HO5	O5	C5	H51	59.7°	60.0°
HO5	O5	C5	H52	59.7°	60.0°
H1	C1	O1	HO1	51.0°	59.5°
H1	C1	C2	H2	30.6°	1.3°
H2	C2	O2	HO2	65.6°	57.4°

Release date:	2016-04-20
Definition date:	2016-02-24
Last modified:	2020-07-17
Release status:	REL
Processing site:	RCSB
Derived from:	5IBQ